4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene

C₈H₅BrF₄CAS 184970-26-1257.03 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₅BrF₄
Molar mass: 257.03 g/mol
Exact mass: 255.9511 Da
logP: 3.74Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

184970-26-1

SMILES

Fc1ccc(CBr)cc1C(F)(F)F

InChIKey

JVQDTRQMKZMBAU-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrF4/c9-4-5-1-2-7(10)6(3-5)8(11,12)13/h1-3H,4H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzene, 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)-
4-Fluoro-3-trifluoromethylbenzyl bromide

Work with 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Difluorobenzyl bromide85118-01-060 % similar 4-Fluoro-3-(trifluoromethyl)benzeneacetonitrile220239-65-658 % similar 4-(Bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene261951-89-757 % similar 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-455 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-355 % similar 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-450 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-350 % similar 4-(Trifluoromethyl)benzyl bromide402-49-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene184970-25-0 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-0 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-1 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-2

Elsewhere

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